{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.4225 5.059172 4.833997 4.670394 4.541823 4.435894 4.345815 4.267454 4.19811 4.13592 4.079546 4.027992 3.980499 3.936472 3.895441 3.857023 3.820906 3.786829 3.754574 3.723957 3.694818 3.667022 3.640451 3.615 3.597674 3.579439 3.560194 3.539821 3.51818 3.495103 3.470383 3.443771 3.414952 3.383526 3.348976 3.310609 3.267477 3.218227 3.16083 3.092048 3.006217 2.892 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.422500000000001e-10 5.059172000000001e-10 4.833997e-10 4.670394e-10 4.541823e-10 4.4358940000000003e-10 4.3458150000000003e-10 4.267454e-10 4.19811e-10 4.13592e-10 4.079546e-10 4.0279920000000005e-10 3.980499e-10 3.936472e-10 3.895441e-10 3.857023e-10 3.820906e-10 3.786829e-10 3.754574e-10 3.723957e-10 3.694818e-10 3.667022e-10 3.6404510000000004e-10 3.6150000000000004e-10 3.5976740000000004e-10 3.579439e-10 3.5601940000000004e-10 3.539821e-10 3.51818e-10 3.495103e-10 3.470383e-10 3.443771e-10 3.4149520000000003e-10 3.383526e-10 3.348976e-10 3.310609e-10 3.267477e-10 3.218227e-10 3.16083e-10 3.092048e-10 3.006217e-10 2.892e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.502567 1.1001 1.51884 1.84594 2.1165 2.34753 2.54748 2.7154 2.85145 2.95831 3.04484 3.1205 3.1895 3.25165 3.30673 3.35479 3.39602 3.43069 3.45912 3.48164 3.4986 3.51033 3.51715 3.51935 3.51822 3.51418 3.50606 3.49235 3.47105 3.43951 3.39417 3.33024 3.24103 3.11817 2.9588 2.76583 2.54608 2.29369 1.98538 1.5746 0.940201 -0.258171 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.052010977855937e-20 1.7625545005420802e-19 2.433449938735872e-19 2.957521911399552e-19 3.3910068179232e-19 3.761157682626624e-19 4.0815128979555846e-19 4.35055039612032e-19 4.56852652538016e-19 4.739735119078848e-19 4.878371462076672e-19 4.9995921452064e-19 5.110142332041599e-19 5.209717609024321e-19 5.297965497297984e-19 5.374966105693633e-19 5.441023847769216e-19 5.496571311212352e-19 5.542121192541696e-19 5.578202210042113e-19 5.60537512553088e-19 5.6241686572928645e-19 5.635095501846721e-19 5.6386202904124805e-19 5.636809830830976e-19 5.630337037282944e-19 5.617327363122049e-19 5.595361521650881e-19 5.56123515962784e-19 5.510702509007808e-19 5.438059821020736e-19 5.335632669652992e-19 5.192702493311424e-19 4.995859073679937e-19 4.74052018562304e-19 4.431348163107264e-19 4.079269850686464e-19 3.674896493362752e-19 3.180929419403904e-19 2.5227873071116803e-19 1.506368061052781e-19 -4.136355403685568e-20 ] } }